3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one

C16H18BrNO3 — CID 157332522

IUPAC3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one
SMILESCOCCOc1ccc(-c2ccc(Br)c(=O)n2C)c(C)c1
InChIInChI=1S/C16H18BrNO3/c1-11-10-12(21-9-8-20-3)4-5-13(11)15-7-6-14(17)16(19)18(15)2/h4-7,10H,8-9H2,1-3H3
InChIKeyZJJHAXAALGOMHG-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.15
Rot. Bonds5

About 3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one

3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one (PubChem CID 157332522) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one
PubChem CID157332522
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one
SMILESCOCCOc1ccc(-c2ccc(Br)c(=O)n2C)c(C)c1
InChIInChI=1S/C16H18BrNO3/c1-11-10-12(21-9-8-20-3)4-5-13(11)15-7-6-14(17)16(19)18(15)2/h4-7,10H,8-9H2,1-3H3
InChIKeyZJJHAXAALGOMHG-UHFFFAOYSA-N
XLogP3.15
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160746316
3-bromo-6-(4-methoxy-2-methylphenyl)-1-methylpyridin-2-one
CID 158562062
2-[4-(5-bromo-1-methyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 160578621
3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 159322458
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
CID 161221111
3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 159666606
6-(4-methoxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 159172833
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]pyridin-2-one
CID 158395133
3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160891004
3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451511
3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one
CID 158626674
1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene
CID 58083361

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
The IUPAC name of 3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one (CID 157332522) is 3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one is COCCOc1ccc(-c2ccc(Br)c(=O)n2C)c(C)c1.
What is the InChIKey of 3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
The InChIKey is ZJJHAXAALGOMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-11-10-12(21-9-8-20-3)4-5-13(11)15-7-6-14(17)16(19)18(15)2/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one?
3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one has a molecular weight of 352.23 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 157332522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).